Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.46 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | SCN4A | P35499 | 2/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL28079978 | 0.92 | LMNA (0.48) | LMNASLC6A4POLBMEN1KMT2A | |
| SCHEMBL43945 | 0.89 | SLC6A4 (0.56) | LMNASLC6A4SCN4A | |
| SCHEMBL29503095 | 0.89 | SLC6A4 (0.56) | LMNASLC6A4SCN4A | |
| Benzene SCHEMBL28170835 | 0.89 | SLC6A4 (0.56) | LMNASLC6A4SCN4A | |
| SCHEMBL176808 | 0.89 | SLC6A4 (0.56) | LMNASLC6A4SCN4A | |
| SCHEMBL170928 | 0.89 | SLC6A4 (0.56) | LMNASLC6A4SCN4A | |
| Hydrochloric Acid SCHEMBL6852974 | 0.87 | SLC6A4 (0.54) | LMNASLC6A4SCN4A | |
| Hydrochloric Acid SCHEMBL5945406 | 0.87 | SLC6A4 (0.54) | LMNASLC6A4SCN4A | |
| Hydrochloric Acid SCHEMBL7185884 | 0.87 | SLC6A4 (0.54) | LMNASLC6A4SCN4A | |
| Iodide SCHEMBL6672339 | 0.87 | SLC6A4 (0.54) | LMNASLC6A4SCN4A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0423467-A2 | Method for optical resolution of (+/-)-2-(3-benzoyl)-phenylpropionic acid | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1991-04-24 | — | — | EP | disclosed |